SCHEMBL10400352

SCHEMBL10400352

C=C(C)C(=O)OCC(C)CCCCC(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
FAAH O00519 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28387209 0.91 TSHR (0.62) TSHRTHRBALDH1A1TDP1CYP3A4
SCHEMBL10400584 0.90 TSHR (0.53) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL10399613 0.87 TSHR (0.50) TSHRTHRBALDH1A1TDP1CYP3A4
SCHEMBL6457085 0.86 TSHR (0.56) TSHRTHRBALDH1A1FAAH
SCHEMBL29187279 0.86 TSHR (0.56) TSHRTHRBALDH1A1TDP1CYP3A4
SCHEMBL4526188 0.85 TSHR (0.69) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL650461 0.85 TSHR (0.59) TSHRTHRBFAAH
SCHEMBL652336 0.85 TSHR (0.59) TSHRTHRBFAAH
SCHEMBL8204683 0.85 TSHR (0.59) TSHRTHRBFAAH
SCHEMBL6748216 0.85 TSHR (0.59) TSHRTHRBFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US claimed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP claimed